Several advanced moltemplate examples and code needed to run them

A collection of files for demonstrating some of the advanced features of the moltemplate coarse-grained molecule builder software for LAMMPS (moltemplate.org).  These files are intentionally complicated in order to show off these features.  New users are encouraged to visit moltemplate.org where they can find a more gentle introduction to moltemplate.

Archive #1

Archive #1 contains several coarse-grained simulation examples.  They were selected because they are (currently) only easy to prepare using moltemplate.  These examples are files in moltemplate format (LT files).  Additional README files and some bash scripts and links are included.

Archive #2

These examples take advantage of the extensibility of LAMMPS.  LAMMPS is a molecular dynamics program, and moltemplate is a tool for preparing input files for LAMMPS.  In order for these complex examples to work, new LAMMPS features were needed (such as twist motors and ellipsoidal bonding).  So new code was added to LAMMPS to implement these features.  That new code is included, along with the LAMMPS code, moltemplate code, and other auxiliary programs (such as PACKMOL) in archive #2.

Revisions

As LAMMPS and moltemplate evolve, these examples will be updated in order to make them work on future versions of LAMMPS.  Updated moltemplate examples and code can be downloaded at moltemplate.org.  Updated LAMMPS code can be found at lammps.sandia.gov.  A README file is provided in each archive with more details explaining where to find the most recent versions of these examples and their supporting code.